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Ligand · 1XO

1XO · N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

1XO, N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (C23 H21 N3 O2 S, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1XO
Formula
C23 H21 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1XO in 2 structures; the first of them:

  • 4LI6 · TANKYRASE-1 Complexed with small molecule inhibitor… · 1XO A1406 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, ILE1192, PHE1197 and 15 more
  • 4LI6 · Tankyrase-1 complexed with small molecule inhibitor N-[(4-oxo-3,4… · 1XO A1406 · binds PHE1183, HIS1184, GLY1185, SER1186, PRO1187, PHE1188, ILE1192, PHE1197 and 15 more

Residues it binds most

PHE 4, GLY 4, ILE 4, TYR 4, ALA 4, HIS 4, SER 4, ASP 4, GLU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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